B-(2,3,4-Trichlorophenyl)boronic acid

C₆H₄BCl₃O₂CAS 352530-21-3225.26 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid

Properties

Molecular formula: C₆H₄BCl₃O₂
Molar mass: 225.26 g/mol
Exact mass: 223.9370 Da
logP: 1.33Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Identifiers

CAS number

352530-21-3

SMILES

OB(O)c1ccc(Cl)c(Cl)c1Cl

InChIKey

MXFWEDVDGXOVRT-UHFFFAOYSA-N

InChI

InChI=1S/C6H4BCl3O2/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,11-12H

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Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names

Boronic acid, B-(2,3,4-trichlorophenyl)-
Boronic acid, (2,3,4-trichlorophenyl)-
2,3,4-Trichlorophenylboronic acid

Work with B-(2,3,4-Trichlorophenyl)boronic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(2,3-Dichlorophenyl)boronic acid151169-74-369 % similar 1,2,3,4-Tetrachlorobenzene634-66-255 % similar 2,3,4-Trichlorophenol15950-66-046 % similar B-(4-Chloro-3-pyridinyl)boronic acid452972-10-044 % similar (3-Chloropyridin-4-yl)boronic acid458532-98-444 % similar 2,3,6-Trichlorophenol933-75-543 % similar 2,3,4-Trichloroaniline634-67-341 % similar 4-Borono-3-chlorobenzoic acid851335-09-641 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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